N-(4-methylphenyl)-N'-[5-(4-methylpiperidine-1-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]thiourea
Chemical Structure Depiction of
N-(4-methylphenyl)-N'-[5-(4-methylpiperidine-1-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]thiourea
N-(4-methylphenyl)-N'-[5-(4-methylpiperidine-1-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]thiourea
Compound characteristics
| Compound ID: | K786-0403 |
| Compound Name: | N-(4-methylphenyl)-N'-[5-(4-methylpiperidine-1-carbonyl)-2-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)phenyl]thiourea |
| Molecular Weight: | 555.74 |
| Molecular Formula: | C32 H37 N5 O2 S |
| Smiles: | CC1CCN(CC1)C(c1ccc(c(c1)NC(Nc1ccc(C)cc1)=S)N1CC2CC(C1)C1=CC=CC(N1C2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8153 |
| logD: | 5.8153 |
| logSw: | -5.4041 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.862 |
| InChI Key: | IZDMYOMFTHRTBQ-UHFFFAOYSA-N |